4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline

C72H52N6 — CID 163760927

IUPAC4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline
SMILESCC1CC=Cc2c1n(-c1ccc3c(c1)C(c1ccc(N(c4ccccc4)c4ccccc4)cc1)(c1ccc(N(c4ccccc4)c4ccccc4)cc1)c1cc(-n4c5ccccc5c5ncccc54)ccc1-3)c1cccnc21
InChIInChI=1S/C72H52N6/c1-49-19-16-29-63-70-68(32-18-46-74-70)78(71(49)63)59-42-44-61-60-43-41-58(77-66-30-15-14-28-62(66)69-67(77)31-17-45-73-69)47-64(60)72(65(61)48-59,50-33-37-56(38-34-50)75(52-20-6-2-7-21-52)53-22-8-3-9-23-53)51-35-39-57(40-36-51)76(54-24-10-4-11-25-54)55-26-12-5-13-27-55/h2-18,20-49H,19H2,1H3
InChIKeyLYCLKNJOLIIFJU-UHFFFAOYSA-N
MW1001.25 g/mol
LogP18.34
Rot. Bonds10

About 4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline

4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline (PubChem CID 163760927) has the molecular formula C72H52N6 and a molecular weight of 1001.25 g/mol. Its IUPAC name is 4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline
PubChem CID163760927
Molecular FormulaC72H52N6
Molecular Weight1001.25 g/mol
Exact Mass1000.43
IUPAC Name4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline
SMILESCC1CC=Cc2c1n(-c1ccc3c(c1)C(c1ccc(N(c4ccccc4)c4ccccc4)cc1)(c1ccc(N(c4ccccc4)c4ccccc4)cc1)c1cc(-n4c5ccccc5c5ncccc54)ccc1-3)c1cccnc21
InChIInChI=1S/C72H52N6/c1-49-19-16-29-63-70-68(32-18-46-74-70)78(71(49)63)59-42-44-61-60-43-41-58(77-66-30-15-14-28-62(66)69-67(77)31-17-45-73-69)47-64(60)72(65(61)48-59,50-33-37-56(38-34-50)75(52-20-6-2-7-21-52)53-22-8-3-9-23-53)51-35-39-57(40-36-51)76(54-24-10-4-11-25-54)55-26-12-5-13-27-55/h2-18,20-49H,19H2,1H3
InChIKeyLYCLKNJOLIIFJU-UHFFFAOYSA-N
XLogP18.34
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.25
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
CID 135131175
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 145077283
5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 143647877
17-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032529
4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline
CID 70676513
10-naphthalen-2-yl-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037072
N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 118682510
N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170099431
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941
N-anthracen-2-yl-N-(9,9-diphenylfluoren-2-yl)-5-methyl-9-phenyl-5,6-dihydrocarbazol-3-amine
CID 88891816
5,6-dimethyl-6,7-dihydropyrido[3,2-b]indole
CID 163994606
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline (CID 163760927) is 4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline is CC1CC=Cc2c1n(-c1ccc3c(c1)C(c1ccc(N(c4ccccc4)c4ccccc4)cc1)(c1ccc(N(c4ccccc4)c4ccccc4)cc1)c1cc(-n4c5ccccc5c5ncccc54)ccc1-3)c1cccnc21.
What is the InChIKey of 4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline?
The InChIKey is LYCLKNJOLIIFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N6/c1-49-19-16-29-63-70-68(32-18-46-74-70)78(71(49)63)59-42-44-61-60-43-41-58(77-66-30-15-14-28-62(66)69-67(77)31-17-45-73-69)47-64(60)72(65(61)48-59,50-33-37-56(38-34-50)75(52-20-6-2-7-21-52)53-22-8-3-9-23-53)51-35-39-57(40-36-51)76(54-24-10-4-11-25-54)55-26-12-5-13-27-55/h2-18,20-49H,19H2,1H3.
What are the key properties of 4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline?
4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline has a molecular weight of 1001.25 g/mol, XLogP of 18.34, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline is sourced from PubChem (CID 163760927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).